CID 13670424

1(2h)-pyrimidinecarboxamide, 3,4-dihydro-2,4-dioxo-5-fluoro-n-(2-((2-(triethylsilyl)ethyl)thio)ethyl)-

Structural Information

Molecular Formula
C15H26FN3O3SSi
SMILES
CC[Si](CC)(CC)CCSCCNC(=O)N1C=C(C(=O)NC1=O)F
InChI
InChI=1S/C15H26FN3O3SSi/c1-4-24(5-2,6-3)10-9-23-8-7-17-14(21)19-11-12(16)13(20)18-15(19)22/h11H,4-10H2,1-3H3,(H,17,21)(H,18,20,22)
InChIKey
MCIXVCJVVPEUHL-UHFFFAOYSA-N
Compound name
5-fluoro-2,4-dioxo-N-[2-(2-triethylsilylethylsulfanyl)ethyl]pyrimidine-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

375.1448 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.15208 188.3
[M+Na]+ 398.13402 195.7
[M+NH4]+ 393.17862 191.2
[M+K]+ 414.10796 189.2
[M-H]- 374.13752 184.9
[M+Na-2H]- 396.11947 188.8
[M]+ 375.14425 188.3
[M]- 375.14535 188.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe